CID 131469234

2613382-88-8

Structural Information

Molecular Formula
C10H12BrNO2
SMILES
CC1=CC(=CC(=C1)Br)C(C(=O)OC)N
InChI
InChI=1S/C10H12BrNO2/c1-6-3-7(5-8(11)4-6)9(12)10(13)14-2/h3-5,9H,12H2,1-2H3
InChIKey
DYADGDXTDKYDIC-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(3-bromo-5-methylphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.00513 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01241 146.7
[M+Na]+ 279.99435 148.7
[M+NH4]+ 275.03895 150.7
[M+K]+ 295.96829 149.9
[M-H]- 255.99785 146.9
[M+Na-2H]- 277.97980 149.0
[M]+ 257.00458 145.7
[M]- 257.00568 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.